CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 18.632700 15.217965 19.477407 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.62800000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.37200000 Z=0.75000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20400000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.79600000 Y=0.00000000 Z=0.00000000
      -2: X=0.20400000 Y=0.00000000 Z=0.50000000
      -2: X=0.79600000 Y=0.00000000 Z=0.50000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.02200000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.97800000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  81.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.31200000 Z=0.05000000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.68800000 Z=0.95000000
      -4: X=0.00000000 Y=0.31200000 Z=0.45000000
      -4: X=0.00000000 Y=0.68800000 Z=0.55000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  81.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21600000 Y=0.28500000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -5: X=0.78400000 Y=0.71500000 Z=0.75000000
      -5: X=0.78400000 Y=0.28500000 Z=0.25000000
      -5: X=0.21600000 Y=0.71500000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  81.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000